#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbz h ARG 40 N 0.00 0.00 -0.19 -1.09 0.11 -2.09 -3.37 114.38 107.75 2kbz h ARG 40 Ca 0.00 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.88 2kbz h ARG 40 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2kbz h ARG 40 CO 0.00 0.00 -0.67 -0.24 0.10 0.00 0.00 179.97 179.16 2kbz h VAL 41 N 0.00 1.29 0.00 0.08 3.04 -2.08 -3.29 116.25 115.30 2kbz h VAL 41 Ca 0.00 -1.89 -0.06 0.00 -1.01 0.00 0.00 66.70 63.74 2kbz h VAL 41 Cb 0.92 1.85 -0.01 0.00 -2.01 0.00 0.00 31.29 32.04 2kbz h VAL 41 CO 0.00 0.60 -0.30 0.07 -1.01 0.00 0.00 177.57 176.93 2kbz h LYS 42 N 0.54 0.00 -0.23 4.17 2.10 -2.01 -3.23 116.57 117.91 2kbz h LYS 42 Ca -0.02 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.70 2kbz h LYS 42 Cb 1.27 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.59 2kbz h LYS 42 CO 0.14 0.30 0.29 0.00 -2.00 0.00 0.00 179.45 178.18 2kbz h ARG 43 N 0.00 0.00 0.00 0.07 3.08 -1.75 0.44 114.38 116.22 2kbz h ARG 43 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2kbz h ARG 43 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2kbz h ARG 43 CO 0.04 0.00 -0.00 -0.07 -1.07 0.00 0.00 179.97 178.87 2kbz h LEU 44 N 0.00 -0.00 0.00 3.04 -0.00 -1.77 -3.37 115.31 113.20 2kbz h LEU 44 Ca 0.11 -0.90 0.00 0.00 -0.00 0.00 0.00 57.88 57.09 2kbz h LEU 44 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 2kbz h LEU 44 CO -0.00 0.92 -0.68 0.17 -0.00 0.00 0.00 178.44 178.85 2kbz h LEU 45 N -0.94 0.00 -1.71 1.67 -0.00 -1.63 -1.58 115.31 111.12 2kbz h LEU 45 Ca -0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.82 2kbz h LEU 45 Cb 0.90 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.56 2kbz h LEU 45 CO 0.00 0.02 -0.05 0.77 -0.00 0.00 0.00 178.44 179.18 2kbz h SER 46 N 0.00 0.00 0.00 0.17 4.64 -0.34 0.65 113.55 118.67 2kbz h SER 46 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 2kbz h SER 46 Cb 0.94 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.98 2kbz h SER 46 CO 0.00 0.05 -2.18 2.30 -0.87 0.00 0.00 176.83 176.13 2kbz n ILE 47 N -3.22 1.16 0.40 0.95 -5.35 -1.24 -3.10 119.36 108.96 2kbz n ILE 47 Ca -0.00 -0.31 0.12 0.00 -0.27 0.00 0.00 62.75 62.29 2kbz n ILE 47 Cb 0.28 -1.73 0.18 0.00 -1.74 0.00 0.00 39.64 36.64 2kbz n ILE 47 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2kbz h THR 48 N -0.68 0.00 -0.74 7.28 2.02 -1.31 0.13 112.91 119.62 2kbz h THR 48 Ca -0.53 -0.71 -0.32 0.00 0.77 0.00 0.00 66.41 65.62 2kbz h THR 48 Cb 1.49 1.45 -0.33 0.00 -1.74 0.00 0.00 68.15 69.03 2kbz h THR 48 CO -0.30 0.00 -0.95 0.59 0.37 0.00 0.00 175.52 175.23 2kbz n ASN 49 N -2.48 0.44 0.00 4.18 3.02 0.22 -4.15 115.26 116.49 2kbz n ASN 49 Ca 0.03 -2.66 0.00 0.00 -0.03 0.00 0.00 54.58 51.92 2kbz n ASN 49 Cb 0.48 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 2kbz n ASN 49 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2kbz n ASP 50 N -0.20 0.00 -0.07 6.41 2.03 -1.21 -4.77 116.55 118.74 2kbz n ASP 50 Ca 0.06 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.29 2kbz n ASP 50 Cb 0.82 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.18 2kbz n ASP 50 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2kbz h LYS 51 N 0.00 0.00 -0.31 -0.67 3.64 -1.60 -3.45 116.57 114.18 2kbz h LYS 51 Ca 0.00 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 2kbz h LYS 51 Cb 0.00 0.00 -0.37 0.00 -0.41 0.00 0.00 32.23 31.45 2kbz h LYS 51 CO 0.00 0.25 -1.01 0.72 -2.27 0.00 0.00 179.45 177.14 2kbz n HIS 52 N -4.60 0.98 -0.29 1.91 8.25 0.46 -4.86 115.22 117.07 2kbz n HIS 52 Ca -0.11 -1.62 0.06 0.00 -0.26 0.00 0.00 57.72 55.79 2kbz n HIS 52 Cb 0.32 -0.22 0.28 0.00 1.12 0.00 0.00 29.99 31.49 2kbz n HIS 52 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 2kbz h ASP 53 N 1.95 0.83 -0.01 0.41 2.03 -1.70 0.65 116.42 120.58 2kbz h ASP 53 Ca -0.09 0.02 -0.02 0.00 -0.73 0.00 0.00 57.03 56.20 2kbz h ASP 53 Cb 1.47 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 39.81 2kbz h ASP 53 CO 0.22 0.50 -0.08 1.05 -1.03 0.00 0.00 179.24 179.90 2kbz h GLU 54 N 0.92 0.08 0.04 4.15 -0.00 -1.89 -3.32 114.58 114.56 2kbz h GLU 54 Ca 0.40 -0.07 -0.26 0.00 -0.00 0.00 0.00 59.36 59.43 2kbz h GLU 54 Cb 0.33 0.01 0.01 0.00 -0.00 0.00 0.00 28.75 29.11 2kbz h GLU 54 CO -0.16 0.74 -1.06 -0.92 -0.00 0.00 0.00 179.01 177.60 2kbz h TYR 55 N -0.56 0.83 0.13 2.06 3.20 -1.77 -2.92 116.97 117.94 2kbz h TYR 55 Ca -0.01 -0.48 -0.01 0.00 3.14 0.00 0.00 58.73 61.38 2kbz h TYR 55 Cb 0.76 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.95 2kbz h TYR 55 CO 0.16 1.31 -0.06 1.37 -1.64 0.00 0.00 178.16 179.30 2kbz h LEU 56 N 0.28 -0.15 -1.92 2.82 -0.00 0.11 -2.96 115.31 113.50 2kbz h LEU 56 Ca -0.12 -0.38 0.35 0.00 -0.00 0.00 0.00 57.88 57.73 2kbz h LEU 56 Cb 1.72 0.04 -0.06 0.00 -0.00 0.00 0.00 40.66 42.36 2kbz h LEU 56 CO 0.20 0.36 0.87 0.74 -0.00 0.00 0.00 178.44 180.61 2kbz h THR 57 N -0.72 0.38 0.18 0.15 2.02 -1.74 -2.74 112.91 110.45 2kbz h THR 57 Ca -0.02 -0.01 -0.30 0.00 0.77 0.00 0.00 66.41 66.84 2kbz h THR 57 Cb 0.53 0.34 0.03 0.00 -1.74 0.00 0.00 68.15 67.31 2kbz h THR 57 CO 0.03 0.01 -1.30 -0.33 0.37 0.00 0.00 175.52 174.30 2kbz h GLU 58 N 0.04 0.56 -0.73 6.66 5.08 -1.48 -3.36 114.58 121.36 2kbz h GLU 58 Ca 0.60 -0.84 0.14 0.00 -1.00 0.00 0.00 59.36 58.25 2kbz h GLU 58 Cb 2.30 0.30 -0.14 0.00 0.50 0.00 0.00 28.75 31.71 2kbz h GLU 58 CO -0.05 1.39 -0.25 0.52 -1.00 0.00 0.00 179.01 179.62 2kbz h MET 59 N 0.15 -0.05 0.26 2.33 2.86 -1.31 -2.94 114.93 116.23 2kbz h MET 59 Ca -0.21 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 2kbz h MET 59 Cb 1.99 0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.67 2kbz h MET 59 CO 0.25 -0.03 -0.13 0.28 1.06 0.00 0.00 176.91 178.34 2kbz h VAL 60 N -0.05 0.76 0.00 -2.22 2.07 -1.76 -2.87 116.25 112.19 2kbz h VAL 60 Ca 0.32 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2kbz h VAL 60 Cb 0.56 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2kbz h VAL 60 CO -0.77 0.14 0.34 -0.65 0.02 0.00 0.00 177.57 176.65 2kbz h PRO 61 N -0.73 0.00 -0.60 1.57 0.11 -1.68 0.35 132.00 131.02 2kbz h PRO 61 Ca -0.04 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 2kbz h PRO 61 Cb 0.49 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.58 2kbz h PRO 61 CO 0.06 0.00 0.18 -0.07 -0.21 0.00 0.00 178.00 177.96 2kbz h LEU 62 N 0.00 0.87 -0.08 2.35 4.07 -1.33 0.07 115.31 121.26 2kbz h LEU 62 Ca 0.00 -0.21 -0.05 0.00 0.08 0.00 0.00 57.88 57.69 2kbz h LEU 62 Cb 0.69 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.20 2kbz h LEU 62 CO 0.00 0.85 -0.16 0.25 -1.08 0.00 0.00 178.44 178.30 2kbz h LEU 63 N 0.85 0.28 -0.32 1.67 5.85 -0.62 -2.76 115.31 120.26 2kbz h LEU 63 Ca 0.19 -0.56 -0.20 0.00 0.84 0.00 0.00 57.88 58.15 2kbz h LEU 63 Cb 0.30 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2kbz h LEU 63 CO -0.00 0.79 -0.73 -0.37 -0.34 0.00 0.00 178.44 177.79 2kbz h VAL 64 N -0.22 1.33 0.10 1.05 -1.51 -0.54 -2.44 116.25 114.02 2kbz h VAL 64 Ca 0.00 -2.04 -0.27 0.00 -1.23 0.00 0.00 66.70 63.16 2kbz h VAL 64 Cb 0.75 2.03 0.03 0.00 -2.13 0.00 0.00 31.29 31.96 2kbz h VAL 64 CO 0.04 0.63 -1.13 -0.08 -1.23 0.00 0.00 177.57 175.80 2kbz h GLU 65 N 0.39 0.59 -0.53 5.19 4.57 -1.15 -2.62 114.58 121.02 2kbz h GLU 65 Ca -0.03 -0.77 -0.03 0.00 -1.18 0.00 0.00 59.36 57.34 2kbz h GLU 65 Cb 1.32 0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 30.14 2kbz h GLU 65 CO 0.14 1.34 0.20 0.27 -1.18 0.00 0.00 179.01 179.77 2kbz h PHE 66 N 0.20 0.81 -0.02 0.92 -0.00 -1.58 -1.66 116.94 115.61 2kbz h PHE 66 Ca -0.17 -0.07 -0.12 0.00 -0.00 0.00 0.00 57.97 57.62 2kbz h PHE 66 Cb 1.82 -0.24 -0.02 0.00 -0.00 0.00 0.00 35.95 37.51 2kbz h PHE 66 CO 0.12 0.68 -0.54 0.00 -0.00 0.00 0.00 178.31 178.57 2kbz h ALA 67 N 1.05 1.08 0.00 12.09 0.00 -1.57 -3.22 119.26 128.68 2kbz h ALA 67 Ca 0.17 -0.49 -0.20 0.00 0.00 0.00 0.00 54.91 54.39 2kbz h ALA 67 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2kbz h ALA 67 CO -0.01 0.68 -0.87 -0.22 0.00 0.00 0.00 179.25 178.82 2kbz h LYS 68 N 0.04 0.22 -0.12 0.00 3.64 -1.42 -3.34 116.57 115.58 2kbz h LYS 68 Ca -0.00 -0.24 0.03 0.00 -1.27 0.00 0.00 60.65 59.17 2kbz h LYS 68 Cb 0.97 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2kbz h LYS 68 CO 0.07 0.96 0.32 0.22 -2.27 0.00 0.00 179.45 178.76 2kbz h ASP 69 N 0.12 0.00 -0.03 4.20 3.58 -1.30 -3.17 116.42 119.82 2kbz h ASP 69 Ca -0.05 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.43 2kbz h ASP 69 Cb 1.50 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.52 2kbz h ASP 69 CO 0.14 0.00 -0.14 -0.08 -2.88 0.00 0.00 179.24 176.27 2kbz h GLU 70 N 0.00 -0.21 -0.16 0.28 4.22 -1.72 -3.37 114.58 113.61 2kbz h GLU 70 Ca 0.05 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.51 2kbz h GLU 70 Cb 0.70 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2kbz h GLU 70 CO -0.00 -0.14 0.00 0.00 -2.18 0.00 0.00 179.01 176.69 2kbz n HIS 72 N -0.21 -0.43 -1.69 0.00 -0.00 -1.26 -4.95 115.22 106.68 2kbz n HIS 72 Ca 0.09 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.49 2kbz n HIS 72 Cb 0.43 -2.39 0.04 0.00 -0.00 0.00 0.00 29.99 28.07 2kbz n HIS 72 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2kbz s ASN 73 N -2.58 5.46 -1.46 0.26 2.20 -1.26 -4.94 114.94 112.62 2kbz s ASN 73 Ca 0.00 1.68 -0.09 0.00 -0.94 0.00 0.00 52.86 53.51 2kbz s ASN 73 Cb 0.00 -2.51 -0.04 0.00 -2.00 0.00 0.00 41.25 36.70 2kbz s ASN 73 CO 0.00 -1.39 2.84 -0.81 -2.94 0.00 0.00 177.10 174.81 2kbz n PRO 74 N -2.84 3.85 -0.56 3.55 -0.04 -1.26 -4.78 135.00 132.92 2kbz n PRO 74 Ca 0.08 -2.48 -0.05 0.00 -0.04 0.00 0.00 63.50 61.01 2kbz n PRO 74 Cb 0.53 -2.71 -0.07 0.00 -0.04 0.00 0.00 33.50 31.22 2kbz n PRO 74 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2kbz n PHE 75 N 3.00 0.00 -4.38 0.54 1.16 -1.26 -4.85 117.46 111.67 2kbz n PHE 75 Ca 0.73 -0.92 -0.28 0.00 -1.87 0.00 0.00 57.45 55.11 2kbz n PHE 75 Cb 0.27 -0.88 -0.13 0.00 -1.61 0.00 0.00 39.48 37.14 2kbz n PHE 75 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2kbz s ILE 76 N 1.07 2.18 0.34 1.97 1.01 -1.26 -1.12 121.20 125.39 2kbz s ILE 76 Ca 0.26 -1.77 0.09 0.00 0.00 0.00 0.00 60.65 59.22 2kbz s ILE 76 Cb 0.12 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 2kbz s ILE 76 CO 0.00 0.03 0.02 -0.62 0.00 0.00 0.00 174.94 174.37 2kbz s ASP 77 N -2.14 4.23 0.00 3.58 2.15 0.11 -4.76 116.67 119.84 2kbz s ASP 77 Ca 0.14 -0.96 0.00 0.00 0.43 0.00 0.00 52.55 52.15 2kbz s ASP 77 Cb -0.10 -0.56 0.00 0.00 -0.30 0.00 0.00 42.92 41.97 2kbz s ASP 77 CO 0.06 -0.24 0.59 0.29 -0.17 0.00 0.00 175.17 175.70 2kbz n LYS 78 N -0.97 0.00 0.00 4.34 5.02 -1.26 -0.39 118.16 124.90 2kbz n LYS 78 Ca -0.04 0.09 0.11 0.00 -2.02 0.00 0.00 58.31 56.45 2kbz n LYS 78 Cb 0.62 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 34.01 2kbz n LYS 78 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2kbz n ASP 79 N -1.09 0.50 0.00 4.39 2.03 -1.26 -4.97 116.55 116.15 2kbz n ASP 79 Ca 0.00 -0.43 0.00 0.00 0.52 0.00 0.00 54.79 54.88 2kbz n ASP 79 Cb 0.00 1.41 0.00 0.00 -0.72 0.00 0.00 41.12 41.81 2kbz n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kbz n GLY 80 N 1.37 0.77 3.99 0.27 0.00 0.47 -5.09 105.19 106.98 2kbz n GLY 80 Ca 0.00 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 2kbz n GLY 80 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kbz s ASN 81 N -2.69 5.96 0.52 1.61 2.47 -1.24 -4.85 114.94 116.72 2kbz s ASN 81 Ca 0.00 -0.19 -0.18 0.00 0.42 0.00 0.00 52.86 52.91 2kbz s ASN 81 Cb 0.00 -1.22 -0.07 0.00 -1.45 0.00 0.00 41.25 38.51 2kbz s ASN 81 CO 0.00 -0.44 1.02 -1.61 -3.72 0.00 0.00 177.10 172.35 2kbz s GLU 82 N -4.18 3.73 0.10 0.43 8.01 -1.26 0.03 118.70 125.56 2kbz s GLU 82 Ca 0.45 1.17 -0.12 0.00 0.01 0.00 0.00 54.97 56.47 2kbz s GLU 82 Cb -0.10 -2.09 0.02 0.00 -4.31 0.00 0.00 34.13 27.65 2kbz s GLU 82 CO 0.31 -0.47 0.29 0.45 0.01 0.00 0.00 175.26 175.85 2kbz s SER 83 N -2.59 -0.06 -0.02 -0.19 0.15 -0.28 -4.67 113.70 106.05 2kbz s SER 83 Ca 0.63 -0.44 0.06 0.00 0.70 0.00 0.00 55.95 56.90 2kbz s SER 83 Cb -0.14 0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 64.56 2kbz s SER 83 CO 0.28 -0.76 -0.20 -0.63 1.20 0.00 0.00 173.24 173.13 2kbz s ILE 84 N -3.63 1.56 0.81 6.45 1.09 -1.26 -4.62 121.20 121.60 2kbz s ILE 84 Ca 0.03 -0.84 -0.12 0.00 -1.10 0.00 0.00 60.65 58.61 2kbz s ILE 84 Cb 0.03 -1.30 0.08 0.00 -1.06 0.00 0.00 42.46 40.21 2kbz s ILE 84 CO -0.10 0.44 1.17 -2.16 -0.10 0.00 0.00 174.94 174.19 2kbz s PRO 85 N -0.43 2.00 0.29 2.79 0.04 -1.26 -4.85 135.00 133.57 2kbz s PRO 85 Ca 0.07 0.15 0.04 0.00 0.04 0.00 0.00 61.00 61.29 2kbz s PRO 85 Cb -0.08 -1.95 0.70 0.00 0.04 0.00 0.00 34.50 33.21 2kbz s PRO 85 CO -0.01 -1.58 1.75 0.77 0.04 0.00 0.00 177.00 177.97 2kbz h SER 86 N -1.04 0.60 -0.01 6.66 0.02 -2.02 -0.91 113.55 116.85 2kbz h SER 86 Ca -0.46 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 2kbz h SER 86 Cb 1.32 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.89 2kbz h SER 86 CO 0.66 0.18 -0.10 1.23 -1.14 0.00 0.00 176.83 177.65 2kbz h GLY 87 N 0.62 0.10 2.00 -3.77 0.00 -1.96 -2.83 103.07 97.23 2kbz h GLY 87 Ca 0.55 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 2kbz h GLY 87 CO -0.42 0.14 -0.01 -2.08 0.00 0.00 0.00 176.54 174.17 2kbz h VAL 88 N -0.57 0.36 -0.21 4.60 2.07 -1.70 -2.05 116.25 118.74 2kbz h VAL 88 Ca -0.01 -0.04 -0.11 0.00 0.82 0.00 0.00 66.70 67.36 2kbz h VAL 88 Cb 0.81 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2kbz h VAL 88 CO 0.02 0.01 -0.31 0.25 0.02 0.00 0.00 177.57 177.56 2kbz h LEU 89 N 0.00 0.63 -1.80 2.57 5.85 -1.18 -2.16 115.31 119.23 2kbz h LEU 89 Ca -0.00 -0.52 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 2kbz h LEU 89 Cb 0.03 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 2kbz h LEU 89 CO 0.00 1.03 -0.13 0.16 -0.34 0.00 0.00 178.44 179.16 2kbz h ILE 90 N 0.26 0.99 -0.02 4.05 3.07 -1.12 -2.36 117.51 122.37 2kbz h ILE 90 Ca 0.02 -0.47 -0.00 0.00 1.55 0.00 0.00 64.86 65.96 2kbz h ILE 90 Cb 0.89 1.26 -0.00 0.00 -0.27 0.00 0.00 36.82 38.70 2kbz h ILE 90 CO 0.07 0.13 -0.00 0.15 -1.05 0.00 0.00 178.15 177.45 2kbz h PHE 91 N 0.00 0.05 0.14 0.16 3.57 -1.47 -0.46 116.94 118.94 2kbz h PHE 91 Ca -0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.49 2kbz h PHE 91 Cb 0.25 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2kbz h PHE 91 CO 0.00 0.38 -0.16 -0.39 -2.23 0.00 0.00 178.31 175.91 2kbz h VAL 92 N -0.29 0.64 -0.11 1.41 -1.51 -0.86 0.23 116.25 115.77 2kbz h VAL 92 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 2kbz h VAL 92 Cb 0.36 0.64 -0.01 0.00 -2.13 0.00 0.00 31.29 30.15 2kbz h VAL 92 CO 0.00 0.00 0.06 0.00 -1.23 0.00 0.00 177.57 176.41 2kbz h ALA 93 N 0.47 0.14 0.00 5.19 0.00 -1.64 -2.91 119.26 120.51 2kbz h ALA 93 Ca 0.01 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 2kbz h ALA 93 Cb 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2kbz h ALA 93 CO -0.05 -0.38 -0.82 0.87 0.00 0.00 0.00 179.25 178.86 2kbz h LYS 94 N 0.14 0.08 0.39 0.00 1.57 -0.99 -2.21 116.57 115.53 2kbz h LYS 94 Ca 0.04 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2kbz h LYS 94 Cb -0.01 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2kbz h LYS 94 CO -0.02 0.85 -0.22 0.00 -0.57 0.00 0.00 179.45 179.50 2kbz h ALA 95 N 1.12 -0.56 0.00 3.86 0.00 -1.04 -2.30 119.26 120.33 2kbz h ALA 95 Ca -0.02 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 2kbz h ALA 95 Cb 1.44 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 2kbz h ALA 95 CO 0.11 -0.82 -0.81 0.00 0.00 0.00 0.00 179.25 177.73 2kbz h ALA 96 N 0.03 0.55 0.00 0.00 0.00 -1.62 -0.30 119.26 117.93 2kbz h ALA 96 Ca -0.05 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.10 2kbz h ALA 96 Cb 0.46 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kbz h ALA 96 CO 0.06 1.01 -0.14 -0.56 0.00 0.00 0.00 179.25 179.62 2kbz h GLN 97 N 0.00 0.00 0.19 0.00 3.07 -1.43 0.64 115.11 117.58 2kbz h GLN 97 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 2kbz h GLN 97 Cb 1.54 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.10 2kbz h GLN 97 CO 0.11 0.14 -0.09 0.35 0.09 0.00 0.00 178.83 179.43 2kbz h PHE 98 N 0.00 -0.24 0.03 0.06 3.04 -1.35 -3.43 116.94 115.05 2kbz h PHE 98 Ca -0.00 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 2kbz h PHE 98 Cb 0.48 0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.07 2kbz h PHE 98 CO 0.00 0.13 -0.01 -0.92 -2.02 0.00 0.00 178.31 175.49 2kbz h TYR 99 N -0.94 -0.03 -1.05 0.41 3.20 -0.94 -3.40 116.97 114.21 2kbz h TYR 99 Ca -0.03 -0.00 0.30 0.00 3.14 0.00 0.00 58.73 62.14 2kbz h TYR 99 Cb 0.47 0.01 -0.13 0.00 1.54 0.00 0.00 36.73 38.63 2kbz h TYR 99 CO 0.07 0.54 0.63 0.00 -1.64 0.00 0.00 178.16 177.76 2kbz h MET 100 N -0.63 0.38 0.00 1.82 -0.00 -1.12 -0.71 114.93 114.67 2kbz h MET 100 Ca -0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.67 2kbz h MET 100 Cb 0.59 -0.08 -0.00 0.00 -0.00 0.00 0.00 31.60 32.10 2kbz h MET 100 CO 0.01 0.25 -0.03 1.15 -0.00 0.00 0.00 176.91 178.29 2kbz h THR 101 N 0.39 0.23 -0.58 -0.10 2.02 -1.79 -3.13 112.91 109.95 2kbz h THR 101 Ca 0.69 -0.18 -0.31 0.00 0.77 0.00 0.00 66.41 67.38 2kbz h THR 101 Cb 1.61 1.14 -0.23 0.00 -1.74 0.00 0.00 68.15 68.94 2kbz h THR 101 CO -0.48 0.03 -0.67 -0.46 0.37 0.00 0.00 175.52 174.31 2kbz n ASN 102 N -3.37 -1.29 0.00 4.18 2.04 -0.38 -4.70 115.26 111.75 2kbz n ASN 102 Ca -0.02 -3.36 0.00 0.00 -0.44 0.00 0.00 54.58 50.76 2kbz n ASN 102 Cb 0.14 1.06 0.00 0.00 -2.53 0.00 0.00 39.78 38.44 2kbz n ASN 102 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2kbz n ALA 103 N 0.23 0.00 -0.66 -2.53 0.00 -0.57 -3.87 120.51 113.11 2kbz n ALA 103 Ca 0.10 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.53 2kbz n ALA 103 Cb 0.71 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.17 2kbz n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kbz n GLY 104 N 2.40 0.77 0.25 0.00 0.00 -1.26 -3.95 105.19 103.39 2kbz n GLY 104 Ca 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 2kbz n GLY 104 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kbz n LEU 105 N -0.37 1.74 -1.25 0.99 -0.00 -1.26 -4.01 117.00 112.84 2kbz n LEU 105 Ca 0.02 0.29 0.02 0.00 -0.00 0.00 0.00 56.01 56.34 2kbz n LEU 105 Cb 0.42 -0.68 0.11 0.00 -0.00 0.00 0.00 43.42 43.27 2kbz n LEU 105 CO 0.00 0.03 0.21 1.07 -0.00 0.00 0.00 177.39 178.70 2kbz n THR 106 N -4.20 1.39 0.06 1.47 5.66 -1.26 -4.80 114.28 112.61 2kbz n THR 106 Ca -0.27 -2.54 -0.21 0.00 -3.05 0.00 0.00 64.05 57.98 2kbz n THR 106 Cb 0.62 0.22 -0.12 0.00 -1.55 0.00 0.00 70.33 69.50 2kbz n THR 106 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2kbz h GLY 107 N 1.26 0.69 0.00 1.09 0.00 -1.69 -3.44 103.07 100.98 2kbz h GLY 107 Ca -0.05 -1.35 0.00 0.00 0.00 0.00 0.00 47.33 45.93 2kbz h GLY 107 CO 0.13 1.19 0.00 -2.13 0.00 0.00 0.00 176.54 175.73 2kbz n ARG 108 N -3.88 0.00 0.00 4.80 0.63 -1.26 -4.92 116.66 112.03 2kbz n ARG 108 Ca -0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 2kbz n ARG 108 Cb 0.91 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.82 2kbz n ARG 108 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2kbz n SER 109 N -2.75 0.00 -4.53 6.15 7.64 -1.26 -5.08 113.62 113.79 2kbz n SER 109 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 2kbz n SER 109 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2kbz n SER 109 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2kbz s MET 110 N 0.00 3.20 -0.13 1.43 -1.94 -1.26 -4.97 119.30 115.64 2kbz s MET 110 Ca 0.00 -0.45 -0.00 0.00 -1.71 0.00 0.00 55.69 53.53 2kbz s MET 110 Cb 0.00 -4.27 0.03 0.00 2.01 0.00 0.00 34.83 32.60 2kbz s MET 110 CO 0.00 -2.07 -0.08 -0.51 -0.01 0.00 0.00 175.02 172.35 2kbz s ASP 111 N 3.80 2.38 0.00 3.03 1.01 -1.26 -4.81 116.67 120.82 2kbz s ASP 111 Ca 0.33 -0.40 0.00 0.00 0.71 0.00 0.00 52.55 53.19 2kbz s ASP 111 Cb -0.09 -0.91 0.00 0.00 1.01 0.00 0.00 42.92 42.93 2kbz s ASP 111 CO 0.12 -0.12 0.00 0.35 0.21 0.00 0.00 175.17 175.73 2kbz n THR 112 N 4.91 0.00 0.08 -1.27 -2.24 -1.26 -5.02 114.28 109.48 2kbz n THR 112 Ca -0.13 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.73 2kbz n THR 112 Cb 0.50 -1.68 -0.12 0.00 -2.10 0.00 0.00 70.33 66.93 2kbz n THR 112 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2kbz n VAL 113 N -2.05 0.00 0.00 2.28 3.14 -1.26 -5.06 118.33 115.38 2kbz n VAL 113 Ca 0.00 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 2kbz n VAL 113 Cb 0.48 0.25 0.00 0.00 -1.06 0.00 0.00 33.84 33.52 2kbz n VAL 113 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2kbz n SER 114 N -1.95 0.00 -3.61 6.55 3.41 -1.26 -4.71 113.62 112.04 2kbz n SER 114 Ca -0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.48 2kbz n SER 114 Cb 0.38 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.27 2kbz n SER 114 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2kbz s TYR 115 N 0.00 -0.53 -1.44 7.33 5.04 -1.26 -5.09 117.35 121.40 2kbz s TYR 115 Ca 0.00 1.18 0.01 0.00 -2.44 0.00 0.00 57.07 55.81 2kbz s TYR 115 Cb 0.00 0.37 0.03 0.00 0.35 0.00 0.00 41.96 42.71 2kbz s TYR 115 CO 0.00 -0.32 0.80 0.27 -1.34 0.00 0.00 175.55 174.96 2kbz n ASN 116 N 1.84 0.00 0.09 4.32 6.94 -1.26 -2.10 115.26 125.09 2kbz n ASN 116 Ca -0.13 0.27 -0.05 0.00 -0.02 0.00 0.00 54.58 54.66 2kbz n ASN 116 Cb 0.56 -0.28 -0.02 0.00 -2.36 0.00 0.00 39.78 37.68 2kbz n ASN 116 CO 0.00 0.00 0.00 2.19 -1.03 0.00 0.00 177.26 178.42 2kbz h PHE 117 N 0.00 0.00 0.00 -2.53 -5.15 -1.87 0.14 116.94 107.53 2kbz h PHE 117 Ca 0.00 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.60 2kbz h PHE 117 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.15 2kbz h PHE 117 CO 0.00 0.85 -0.81 0.00 -2.00 0.00 0.00 178.31 176.35 2kbz h ALA 118 N 1.15 0.49 0.00 12.09 0.00 -1.76 -3.37 119.26 127.85 2kbz h ALA 118 Ca -0.01 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 2kbz h ALA 118 Cb 1.54 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2kbz h ALA 118 CO 0.11 1.01 -1.41 -2.37 0.00 0.00 0.00 179.25 176.58 2kbz n THR 119 N -3.31 0.12 0.00 0.00 5.66 -1.25 -5.08 114.28 110.42 2kbz n THR 119 Ca 0.01 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 2kbz n THR 119 Cb 0.86 0.06 0.00 0.00 -1.55 0.00 0.00 70.33 69.70 2kbz n THR 119 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2kbz n GLU 120 N -1.90 0.37 0.00 1.09 -0.58 0.48 -5.07 120.64 115.04 2kbz n GLU 120 Ca -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 2kbz n GLU 120 Cb 0.34 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.21 2kbz n GLU 120 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2kbz n ILE 121 N 0.00 0.00 -1.73 -3.67 -5.35 -1.16 -4.73 119.36 102.71 2kbz n ILE 121 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.06 2kbz n ILE 121 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 2kbz n ILE 121 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2kbz s PRO 122 N -1.56 4.12 0.41 6.28 0.04 -1.26 -4.92 135.00 138.11 2kbz s PRO 122 Ca 0.00 2.51 0.28 0.00 0.04 0.00 0.00 61.00 63.84 2kbz s PRO 122 Cb 0.00 -4.14 1.45 0.00 0.04 0.00 0.00 34.50 31.86 2kbz s PRO 122 CO 0.00 -0.97 1.86 0.77 0.04 0.00 0.00 177.00 178.70 2kbz h SER 123 N 10.54 0.00 0.15 6.66 0.02 -1.99 -2.83 113.55 126.09 2kbz h SER 123 Ca -0.47 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.24 2kbz h SER 123 Cb 1.23 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.78 2kbz h SER 123 CO 0.94 0.00 -1.08 0.00 -1.14 0.00 0.00 176.83 175.56 2kbz h THR 124 N 0.00 1.34 0.00 -2.27 1.03 -2.02 -3.30 112.91 107.70 2kbz h THR 124 Ca 0.00 -2.52 -0.09 0.00 -0.01 0.00 0.00 66.41 63.79 2kbz h THR 124 Cb 0.10 3.04 -0.01 0.00 -1.07 0.00 0.00 68.15 70.21 2kbz h THR 124 CO 0.00 0.73 -0.45 0.40 -0.01 0.00 0.00 175.52 176.19 2kbz h ILE 125 N -0.29 1.19 -0.25 0.00 1.08 -1.93 -2.89 117.51 114.42 2kbz h ILE 125 Ca -0.21 -1.61 0.07 0.00 -0.39 0.00 0.00 64.86 62.72 2kbz h ILE 125 Cb 1.75 1.90 -0.01 0.00 -3.07 0.00 0.00 36.82 37.39 2kbz h ILE 125 CO 0.14 0.44 0.26 0.25 -0.69 0.00 0.00 178.15 178.55 2kbz h LEU 126 N 0.00 0.00 -0.84 1.44 6.46 -1.62 0.30 115.31 121.05 2kbz h LEU 126 Ca -0.00 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.64 2kbz h LEU 126 Cb 0.87 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.78 2kbz h LEU 126 CO 0.06 0.00 -0.56 0.11 -0.62 0.00 0.00 178.44 177.43 2kbz h LYS 127 N 0.00 0.00 0.00 1.25 1.79 -1.58 -2.99 116.57 115.04 2kbz h LYS 127 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 2kbz h LYS 127 Cb 0.64 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 2kbz h LYS 127 CO -0.00 0.56 0.00 1.63 -1.08 0.00 0.00 179.45 180.56 2kbz n LYS 128 N -3.80 0.16 -0.20 3.15 5.02 0.10 -2.27 118.16 120.32 2kbz n LYS 128 Ca -0.01 0.38 0.09 0.00 -2.02 0.00 0.00 58.31 56.75 2kbz n LYS 128 Cb 0.58 -1.80 0.38 0.00 -0.02 0.00 0.00 35.03 34.18 2kbz n LYS 128 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2kbz h LEU 129 N 0.00 0.62 0.00 -0.35 7.12 -1.34 -3.37 115.31 117.98 2kbz h LEU 129 Ca 0.00 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.02 2kbz h LEU 129 Cb 0.36 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.38 2kbz h LEU 129 CO 0.00 0.37 -0.92 0.59 -0.13 0.00 0.00 178.44 178.36 2kbz n ASN 130 N -4.50 0.77 0.00 1.25 3.02 -0.96 -4.74 115.26 110.10 2kbz n ASN 130 Ca 0.13 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 2kbz n ASN 130 Cb 0.33 0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.92 2kbz n ASN 130 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2kbz n PRO 131 N -2.44 0.00 0.00 3.52 -0.02 -1.26 -4.47 135.00 130.33 2kbz n PRO 131 Ca 0.01 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2kbz n PRO 131 Cb 0.51 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 2kbz n PRO 131 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 2kbz n TYR 132 N -1.33 0.00 -0.00 6.00 0.18 -1.26 -5.02 117.16 115.73 2kbz n TYR 132 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2kbz n TYR 132 Cb 0.01 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.97 2kbz n TYR 132 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 2kbz n ARG 133 N 0.00 1.17 0.09 -3.48 0.63 -1.26 -4.75 116.66 109.05 2kbz n ARG 133 Ca 0.00 -0.36 -0.20 0.00 -0.92 0.00 0.00 57.85 56.37 2kbz n ARG 133 Cb 0.00 -0.86 -0.15 0.00 0.45 0.00 0.00 32.46 31.90 2kbz n ARG 133 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2kbz h LYS 134 N 0.00 0.35 -1.64 -0.14 3.64 -1.93 -3.45 116.57 113.40 2kbz h LYS 134 Ca 0.00 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 58.78 2kbz h LYS 134 Cb 0.00 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2kbz h LYS 134 CO 0.00 1.25 0.00 -0.12 -2.27 0.00 0.00 179.45 178.31 2kbz n MET 135 N -3.55 0.00 -2.21 1.90 1.56 -1.26 -4.79 117.12 108.77 2kbz n MET 135 Ca -0.17 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 56.84 2kbz n MET 135 Cb 1.06 -0.41 0.00 0.00 2.15 0.00 0.00 33.22 36.02 2kbz n MET 135 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2kbz n ALA 136 N 0.82 5.61 1.07 -5.12 0.00 -1.26 -5.14 120.51 116.49 2kbz n ALA 136 Ca 0.00 -4.23 0.12 0.00 0.00 0.00 0.00 53.44 49.33 2kbz n ALA 136 Cb 0.00 -3.02 0.16 0.00 0.00 0.00 0.00 19.45 16.59 2kbz n ALA 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04